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At least 1,135 records · Page 63
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DOE OSTI2020

Materials Data on CrRe3B4 by Materials Project

CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.19–2.54 Å. There are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.74 Å. In the second Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.37 Å. In the third Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.75 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Cr3+, six Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Re3+ and two equivalent B3- atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Cr3+, five Re3+, and two equivalent B3- atoms.

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Materials Data on Hf2ReAg by Materials Project

Hf2ReAg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2ReAg ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Ag atom. The Hf–Re bond length is 2.29 Å. The Hf–Ag bond length is 2.90 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Ag is bonded in a linear geometry to two equivalent Hf atoms.

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Materials Data on Ta2FeRe by Materials Project

Ta2ReFe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReFe ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Fe atom. The Ta–Re bond length is 2.34 Å. The Ta–Fe bond length is 2.27 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Fe is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on Ta2ReNi by Materials Project

Ta2ReNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReNi ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Ni atom. The Ta–Re bond length is 2.28 Å. The Ta–Ni bond length is 2.34 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Ni is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on ReW3 by Materials Project

W3Re crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 8-coordinate geometry to two equivalent W and two equivalent Re atoms. Both W–W bond lengths are 2.75 Å. Both W–Re bond lengths are 2.74 Å. In the second W site, W is bonded in a distorted body-centered cubic geometry to eight W atoms. All W–W bond lengths are 2.74 Å. Re is bonded in a 4-coordinate geometry to four equivalent W atoms.

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Materials Data on NdRe3(H2O5)3 by Materials Project

NdRe3(H2O5)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.48–2.56 Å. There are three inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.73 Å) and three longer (1.76 Å) Re–O bond length. In the second Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.74 Å) and two longer (1.77 Å) Re–O bond length. In the third Re7+ site, Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.74 Å) and two longer (1.77 Å) Re–O bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Nd3+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one Nd3+ and one Re7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Re7+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Nd3+ and one Re7+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Nd3+ and one Re7+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the thirteenth O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms. In the fourteenth O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms. In the fifteenth O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms.

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Materials Data on Nb2ReRu by Materials Project

Nb2ReRu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2ReRu ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one Re and one Ru atom. The Nb–Re bond length is 2.25 Å. The Nb–Ru bond length is 2.23 Å. Re is bonded in a linear geometry to two equivalent Nb atoms. Ru is bonded in a linear geometry to two equivalent Nb atoms.

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Materials Data on Ta2CuRe by Materials Project

Ta2ReCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2ReCu ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one Re and one Cu atom. The Ta–Re bond length is 2.28 Å. The Ta–Cu bond length is 2.61 Å. Re is bonded in a linear geometry to two equivalent Ta atoms. Cu is bonded in a linear geometry to two equivalent Ta atoms.

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Materials Data on Zr2CoRe by Materials Project

Zr2ReCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2ReCo ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Re and one Co atom. The Zr–Re bond length is 2.37 Å. The Zr–Co bond length is 2.29 Å. Re is bonded in a linear geometry to two equivalent Zr atoms. Co is bonded in a linear geometry to two equivalent Zr atoms.

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Materials Data on Hf2BeRe by Materials Project

BeHf2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeHf2Re ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Hf atoms. Both Be–Hf bond lengths are 2.56 Å. Hf is bonded in a linear geometry to one Be and one Re atom. The Hf–Re bond length is 2.30 Å. Re is bonded in a linear geometry to two equivalent Hf atoms.

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Materials Data on Nb2ReRh by Materials Project

Nb2ReRh crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2ReRh ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one Re and one Rh atom. The Nb–Re bond length is 2.25 Å. The Nb–Rh bond length is 2.30 Å. Re is bonded in a linear geometry to two equivalent Nb atoms. Rh is bonded in a linear geometry to two equivalent Nb atoms.

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Materials Data on Hf2ReRu by Materials Project

Hf2ReRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Ru atoms. All Hf–Re bond lengths are 2.82 Å. All Hf–Ru bond lengths are 2.82 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.

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Materials Data on LiLu2Re by Materials Project

LiLu2Re is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Lu atoms. All Li–Lu bond lengths are 2.96 Å. Lu is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Re atoms. All Lu–Re bond lengths are 2.96 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.

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Materials Data on Zr2CuRe by Materials Project

Zr2ReCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2ReCu ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Re and one Cu atom. The Zr–Re bond length is 2.31 Å. The Zr–Cu bond length is 2.67 Å. Re is bonded in a linear geometry to two equivalent Zr atoms. Cu is bonded in a linear geometry to two equivalent Zr atoms.

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Materials Data on NbV2Re by Materials Project

NbV2Re crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbV2Re ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent V atoms. Both Nb–V bond lengths are 2.20 Å. V is bonded in a linear geometry to one Nb and one Re atom. The V–Re bond length is 2.22 Å. Re is bonded in a linear geometry to two equivalent V atoms.

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Materials Data on Rb3Re by Materials Project

Rb3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to four equivalent Rb and four equivalent Re atoms to form a mixture of distorted edge, corner, and face-sharing RbRb4Re4 tetrahedra. All Rb–Rb bond lengths are 4.02 Å. All Rb–Re bond lengths are 4.02 Å. In the second Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent Rb atoms. Re is bonded in a body-centered cubic geometry to eight equivalent Rb atoms.

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Materials Data on Mg3Re by Materials Project

Mg3Re is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Re atoms to form distorted MgMg8Re4 cuboctahedra that share corners with four equivalent ReMg12 cuboctahedra, corners with fourteen equivalent MgMg8Re4 cuboctahedra, edges with six equivalent ReMg12 cuboctahedra, edges with twelve equivalent MgMg8Re4 cuboctahedra, faces with four equivalent ReMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Re4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.81–3.10 Å. There are two shorter (2.90 Å) and two longer (2.96 Å) Mg–Re bond lengths. Re is bonded to twelve equivalent Mg atoms to form ReMg12 cuboctahedra that share corners with six equivalent ReMg12 cuboctahedra, corners with twelve equivalent MgMg8Re4 cuboctahedra, edges with eighteen equivalent MgMg8Re4 cuboctahedra, faces with eight equivalent ReMg12 cuboctahedra, and faces with twelve equivalent MgMg8Re4 cuboctahedra.

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Materials Data on Hf2RePd by Materials Project

Hf2RePd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2RePd ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Pd atom. The Hf–Re bond length is 2.32 Å. The Hf–Pd bond length is 2.55 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Pd is bonded in a linear geometry to two equivalent Hf atoms.

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